CID 163050547

3,5-dihydroxy-7-methoxy-8-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]-2-(3,4,5-trihydroxyphenyl)chromen-4-one

Structural Information

Molecular Formula
C22H22O12
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)C2=C(C=C(C3=C2OC(=C(C3=O)O)C4=CC(=C(C(=C4)O)O)O)O)OC)O)O)O
InChI
InChI=1S/C22H22O12/c1-6-14(26)17(29)19(31)22(33-6)13-11(32-2)5-8(23)12-16(28)18(30)20(34-21(12)13)7-3-9(24)15(27)10(25)4-7/h3-6,14,17,19,22-27,29-31H,1-2H3/t6-,14-,17+,19+,22-/m0/s1
InChIKey
RCOZJKAJHKSREE-PYLYEQSWSA-N
Compound name
3,5-dihydroxy-7-methoxy-8-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]-2-(3,4,5-trihydroxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.1111 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.11838 211.7
[M+Na]+ 501.10032 219.1
[M-H]- 477.10382 215.5
[M+NH4]+ 496.14492 212.8
[M+K]+ 517.07426 220.0
[M+H-H2O]+ 461.10836 202.4
[M+HCOO]- 523.10930 217.0
[M+CH3COO]- 537.12495 232.8
[M+Na-2H]- 499.08577 235.4
[M]+ 478.11055 215.0
[M]- 478.11165 215.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.